(Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine

C11H15NS — CID 143699595

IUPAC(Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(CCC)C=C/C1=N/SC
InChIInChI=1S/C11H15NS/c1-4-5-10-6-7-11(12-13-3)9(2)8-10/h6-8H,2,4-5H2,1,3H3/b12-11-
InChIKeyOGRFIBSPKQUVLE-QXMHVHEDSA-N
MW193.31 g/mol
LogP3.56
Rot. Bonds3

About (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine

(Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine (PubChem CID 143699595) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine
PubChem CID143699595
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(CCC)C=C/C1=N/SC
InChIInChI=1S/C11H15NS/c1-4-5-10-6-7-11(12-13-3)9(2)8-10/h6-8H,2,4-5H2,1,3H3/b12-11-
InChIKeyOGRFIBSPKQUVLE-QXMHVHEDSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzo[d][2,1]benzothiazepine
CID 22145432
2-(e)-Imino methyl benzenethiol
CID 129868189
[(6E)-6-methylsulfanyliminocyclohexa-2,4-dien-1-ylidene]methanone
CID 134873672
N-[2-[2-(6-sulfanyliminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]thiohydroxylamine
CID 87475521
(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
CID 89282869
N-methylsulfanyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 91203748
6-butylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 123642712
4-methyl-3H-2,1-benzothiazine
CID 129197539
(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
CID 139436605
S-[(E)-(5-methylcyclohexa-2,4-dien-1-ylidene)amino]thiohydroxylamine
CID 142187545
4-Imino-2-prop-1-en-2-ylcyclohexa-1,5-diene-1-thiol
CID 142431391
4-Methylsulfanyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-imine
CID 142431506

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine (CID 143699595) is (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine is C=C1C=C(CCC)C=C/C1=N/SC.
What is the InChIKey of (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine?
The InChIKey is OGRFIBSPKQUVLE-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-5-10-6-7-11(12-13-3)9(2)8-10/h6-8H,2,4-5H2,1,3H3/b12-11-.
What are the key properties of (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine?
(Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine has a molecular weight of 193.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methylidene-N-methylsulfanyl-4-propylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 143699595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).